Details of the Drug

General Information of Drug (ID: DMAEQB6)

Drug Name

Methylurea

Synonyms

METHYLUREA; 1-Methylurea; N-Methylurea; 598-50-5; Monomethylurea; Urea, methyl-; Methyl urea; urea, N-methyl-; Methylmocovina; N-methyl urea; Methylmocovina [Czech]; Methylharnstoff [German]; CCRIS 9137; EINECS 209-935-0; 1-Methylurea;1-Methylurea; UNII-VZ89YBW3P8; VZ89YBW3P8; AI3-15088; XGEGHDBEHXKFPX-UHFFFAOYSA-N; Methylurea, 97%; Methylharnstoff; methylisourea; methyl-urea; 3-methyl-urea; N-Methylurea, 97%; CH3NHCONH2; ACMC-1AKB9; bmse000738; EC 209-935-0; AC1L1XZ6; KSC271C6B; GTPL4662; DTXSID5060510; CTK1H1160; CHEBI:44383

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

74.08

Topological Polar Surface Area (xlogp)

-1.4

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C2H6N2O
IUPAC Name: methylurea
Canonical SMILES: CNC(=O)N
InChI: InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)
InChIKey: XGEGHDBEHXKFPX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11719
ChEBI ID: CHEBI:44383
CAS Number: 598-50-5
TTD ID: D00DBV
VARIDT ID: DR00721

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Urea transporter 2 (SLC14A2)	DT8QC7K	UT2_HUMAN	Substrate	[2]
Urea transporter 1 (SLC14A1)	DTMF8LB	UT1_HUMAN	Substrate	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4662).
2	Urea transporter physiology studied in knockout mice. Front Physiol. 2012 Jun 26;3:217.
3	Comparative transport efficiencies of urea analogues through urea transporter UT-B. Biochim Biophys Acta. 2007 Jul;1768(7):1815-21.
4	Functional differentiation of the human red blood cell and kidney urea transporters. Am J Physiol. 1996 Dec;271(6 Pt 2):F1264-8.